1,3-dimethyl-5-[5-(4-nitrophenyl)-2-thienylmethylene]hexahydropyrimidine-2,4,6-trione | 634172-48-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 1,3-dimethyl-5-[5-(4-nitrophenyl)-2-thienylmethylene]hexahydropyrimidine-2,4,6-trione
• 英文别名: 1,3-dimethyl-5-{[5-(4-nitrophenyl)thiophen-2-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione；1,3-dimethyl-5-[[5-(4-nitrophenyl)thiophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
• CAS: 634172-48-8
• 化学式: C₁₇H₁₃N₃O₅S
• 分子量: 371.373
• InChiKey: PXXLCUSULQKQID-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  132
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1,3-二甲基巴比妥酸 、 5-(4-nitrophenyl)thiophene-2-carbaldehyde 在 吡啶 作用下， 以 溶剂黄146 为溶剂， 以30%的产率得到1,3-dimethyl-5-[5-(4-nitrophenyl)-2-thienylmethylene]hexahydropyrimidine-2,4,6-trione
  参考文献：
  名称：

  Synthesis and reactions of 5-aryl-2-thiophenecarbaldehydes

  摘要：

  The reaction of 2-thiophenecarbaldehyde with arene diazonium chlorides in the presence of CuCl2 catalyst gave 5-aryl-2-thiophenecarbaldehydes. Use of 4-nitrobenzene diazonium chloride in the reaction also gave the isomeric 3-(4-nitrophenyl)-2-thiophenecarbaldehyde. Condensation products of the 5-aryl-2-thiophenecarbaldehydes with cyanoacetic acid esters, cyanoacetamide, and with barbituric and dimethylbarbituric acids were prepared.

  DOI：

  10.1007/s10593-008-0135-0

文献信息

• Synthesis and reactions of 5-aryl-2-thiophenecarbaldehydes
  作者：M. D. Obushak、V. S. Matiychuk、R. Z. Lytvyn

  DOI：10.1007/s10593-008-0135-0

  日期：2008.8

  The reaction of 2-thiophenecarbaldehyde with arene diazonium chlorides in the presence of CuCl2 catalyst gave 5-aryl-2-thiophenecarbaldehydes. Use of 4-nitrobenzene diazonium chloride in the reaction also gave the isomeric 3-(4-nitrophenyl)-2-thiophenecarbaldehyde. Condensation products of the 5-aryl-2-thiophenecarbaldehydes with cyanoacetic acid esters, cyanoacetamide, and with barbituric and dimethylbarbituric acids were prepared.